Research output per year
Research output per year
UN Sustainable Development Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. Our work contributes towards the following SDG(s):
Fingerprint
Dive into the research topics where Theoretical Chemistry is active. These topic labels come from the works of this organisation's members. Together they form a unique fingerprint.
Collaborations and top research areas from the last five years
Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
Profiles
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Ria Braam
- Faculty of Science and Engineering, Theoretical Chemistry - Externe medewerker
Person: Scientific Staff
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Shirin Faraji
- Faculty of Science and Engineering, Theoretical Chemistry - Externe medewerker
Person: Scientific Staff
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Vito Palmisano, M
- Faculty of Science and Engineering, Theoretical Chemistry - Externe medewerker
Person: Scientific Staff
Research output
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Advanced quantum and semiclassical methods for simulating photoinduced molecular dynamics and spectroscopy
Faraji, S., Picconi, D. & Palacino-González, E., 1-Sept-2024, In: Wiley Interdisciplinary Reviews: Computational Molecular Science. 14, 5, 46 p., e1731.Research output: Contribution to journal › Review article › peer-review
Open AccessFile1 Downloads (Pure) -
Benchmarking non-adiabatic quantum dynamics using the molecular Tully models
Gómez, S., Spinlove, E. & Worth, G., 21-Jan-2024, In: Physical Chemistry Chemical Physics. 26, 3, p. 1829-1844 16 p.Research output: Contribution to journal › Article › Academic › peer-review
Open AccessFile10 Citations (Scopus)39 Downloads (Pure) -
Computational methods in support of quantum dynamics simulations
Thie, A. S., 2024, [Groningen]: University of Groningen. 85 p.Research output: Thesis › Thesis fully internal (DIV)
Open AccessFile84 Downloads (Pure)
Activities
- 1 Supervision and examination of PhD students of the UG
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Aggregate, Assemble, Automate
Schomaker, L. (Member of Assessment Committee)
2-Oct-2020Activity: Examination, teaching and supervision › Supervision and examination of PhD students of the UG › Academic
Datasets
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CCDC 621232: Experimental Crystal Structure Determination
Wei, Y. (Contributor), Wu, K. (Contributor), Braam, R. (Contributor), Zhuang, B. (Contributor) & Yu, Y. (Contributor), University of Groningen, 17-Sept-2006
DOI: 10.5517/ccnvfrn
Dataset
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HOAX: a hyperparameter optimisation algorithm explorer for neural networks
Thie, A. (Creator), Menger, M. F. S. J. (Creator) & Faraji, S. (Creator), Taylor & Francis Group, 3-Feb-2023
DOI: 10.6084/m9.figshare.22003788.v1
Dataset
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CCDC 895169: Experimental Crystal Structure Determination
Mairychová, B. (Contributor), Svoboda, T. (Contributor), Štěpnička, P. (Contributor), Růžička, A. (Contributor), Havenith, R. (Contributor), Alonso, M. (Contributor), De Proft, F. (Contributor), Jambor, R. (Contributor) & Dostál, L. (Contributor), University of Groningen, 7-Aug-2012
DOI: 10.5517/ccz1hfx
Dataset
Press/Media
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AI reduces computational time required to study fate of molecules exposed to light
07/12/2020
1 Media contribution
Press/Media: Other › Popular
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AI reduces computational time required to study fate of molecules exposed to light
01/12/2020
1 Media contribution
Press/Media: Other › Popular